Geometry & MOs

Info

ID:	184578
PubChem CID:	77178763
Reduced:	OC11H13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	582.323977
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	2.1
IP(EA), eV:	-8.86(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[1-[3-(4-methoxyphenyl)-4-oxo-6-pyrrolidin-1-yl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C

DOS

IR

Vibrations